N-butyl-3-methyl-N-propylthiophene-2-sulfonamide

C12H21NO2S2 — CID 66929902

IUPACN-butyl-3-methyl-N-propylthiophene-2-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)c1sccc1C
InChIInChI=1S/C12H21NO2S2/c1-4-6-9-13(8-5-2)17(14,15)12-11(3)7-10-16-12/h7,10H,4-6,8-9H2,1-3H3
InChIKeyDTMOJTQSQQVLNY-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.26
Rot. Bonds7

About N-butyl-3-methyl-N-propylthiophene-2-sulfonamide

N-butyl-3-methyl-N-propylthiophene-2-sulfonamide (PubChem CID 66929902) has the molecular formula C12H21NO2S2 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-butyl-3-methyl-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-3-methyl-N-propylthiophene-2-sulfonamide
PubChem CID66929902
Molecular FormulaC12H21NO2S2
Molecular Weight275.44 g/mol
Exact Mass275.10
IUPAC NameN-butyl-3-methyl-N-propylthiophene-2-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)c1sccc1C
InChIInChI=1S/C12H21NO2S2/c1-4-6-9-13(8-5-2)17(14,15)12-11(3)7-10-16-12/h7,10H,4-6,8-9H2,1-3H3
InChIKeyDTMOJTQSQQVLNY-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-N-propylthiophene-2-sulfonamide?
The IUPAC name of N-butyl-3-methyl-N-propylthiophene-2-sulfonamide (CID 66929902) is N-butyl-3-methyl-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-3-methyl-N-propylthiophene-2-sulfonamide?
The canonical SMILES for N-butyl-3-methyl-N-propylthiophene-2-sulfonamide is CCCCN(CCC)S(=O)(=O)c1sccc1C.
What is the InChIKey of N-butyl-3-methyl-N-propylthiophene-2-sulfonamide?
The InChIKey is DTMOJTQSQQVLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S2/c1-4-6-9-13(8-5-2)17(14,15)12-11(3)7-10-16-12/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of N-butyl-3-methyl-N-propylthiophene-2-sulfonamide?
N-butyl-3-methyl-N-propylthiophene-2-sulfonamide has a molecular weight of 275.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 66929902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).